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AMG-510 10mg

CAT: 0628-A19021-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19021-10Size:10 mg
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CAS Number
2296729-00-3

Chemical Information

Sotorasib

Sotorasib is a pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRASG12C mutations. It has a role as an antineoplastic agent. It is a tertiary carboxamide, a member of acrylamides, a member of methylpyridines, a member of phenols, a pyridopyrimidine, a N-acylpiperazine, a tertiary amino compound and a member of monofluorobenzenes.

CAS Number2296729-00-3
PubChem CID137278711
IUPAC Name6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
Molecular FormulaC30H30F2N6O3
Molecular Weight560.6
XLogP4
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1030
SMILES
C[C@H]1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C
InChI
InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1
InChIKey
NXQKSXLFSAEQCZ-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Sotorasib
CAS: 2296729-00-3
CID: 137278711
Formula: C30H30F2N6O3
MW: 560.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass560.23474516
Monoisotopic Mass560.23474516
Topological Polar Surface Area102 Ų
Heavy Atom Count41
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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